N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline

C34H28Cl2N4O3 — CID 142762944

About N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline

N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline (PubChem CID 142762944) has the molecular formula C34H28Cl2N4O3 and a molecular weight of 611.53 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
• PubChem CID: 142762944
• Molecular Formula: C34H28Cl2N4O3
• Molecular Weight: 611.53 g/mol
• Exact Mass: 610.15
• IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
• SMILES: Clc1ccccc1CNc1ccc(-c2cc(COCc3cc(-c4ccc(NCc5ccccc5Cl)cc4)no3)on2)cc1
• InChI: InChI=1S/C34H28Cl2N4O3/c35-31-7-3-1-5-25(31)19-37-27-13-9-23(10-14-27)33-17-29(42-39-33)21-41-22-30-18-34(40-43-30)24-11-15-28(16-12-24)38-20-26-6-2-4-8-32(26)36/h1-18,37-38H,19-22H2
• InChIKey: YWXRELGAPZGQJE-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 85.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.53
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?

The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline (CID 142762944) is N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline is Clc1ccccc1CNc1ccc(-c2cc(COCc3cc(-c4ccc(NCc5ccccc5Cl)cc4)no3)on2)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?

The InChIKey is YWXRELGAPZGQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28Cl2N4O3/c35-31-7-3-1-5-25(31)19-37-27-13-9-23(10-14-27)33-17-29(42-39-33)21-41-22-30-18-34(40-43-30)24-11-15-28(16-12-24)38-20-26-6-2-4-8-32(26)36/h1-18,37-38H,19-22H2.

What are the key properties of N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline?

N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline has a molecular weight of 611.53 g/mol, XLogP of 9.24, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline is sourced from PubChem (CID 142762944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).